phenyl-[1-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanol

C20H22N4OS — CID 47053430

IUPACphenyl-[1-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanol
SMILESOC(c1ccccc1)C1CCN(Cc2csc(-c3ncccn3)n2)CC1
InChIInChI=1S/C20H22N4OS/c25-18(15-5-2-1-3-6-15)16-7-11-24(12-8-16)13-17-14-26-20(23-17)19-21-9-4-10-22-19/h1-6,9-10,14,16,18,25H,7-8,11-13H2
InChIKeyACIMQDYISKEHQC-UHFFFAOYSA-N
MW366.49 g/mol
LogP3.55
Rot. Bonds5

About phenyl-[1-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanol

phenyl-[1-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanol (PubChem CID 47053430) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is phenyl-[1-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Namephenyl-[1-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanol
PubChem CID47053430
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC Namephenyl-[1-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanol
SMILESOC(c1ccccc1)C1CCN(Cc2csc(-c3ncccn3)n2)CC1
InChIInChI=1S/C20H22N4OS/c25-18(15-5-2-1-3-6-15)16-7-11-24(12-8-16)13-17-14-26-20(23-17)19-21-9-4-10-22-19/h1-6,9-10,14,16,18,25H,7-8,11-13H2
InChIKeyACIMQDYISKEHQC-UHFFFAOYSA-N
XLogP3.55
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze phenyl-[1-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 86277538
CID 86277538
CID 24823826
CID 24823826
CID 24824117
CID 24824117
CID 24823181
CID 24823181
CID 24823517
CID 24823517
CID 44530266
CID 44530266
CID 46944022
CID 46944022
CID 46948098
CID 46948098
CID 145967940
CID 145967940
CID 145968847
CID 145968847
CID 155512104
CID 155512104
CID 45166133
CID 45166133

Frequently Asked Questions

What is the IUPAC name of phenyl-[1-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanol?
The IUPAC name of phenyl-[1-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanol (CID 47053430) is phenyl-[1-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanol.
What is the SMILES notation for phenyl-[1-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanol?
The canonical SMILES for phenyl-[1-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanol is OC(c1ccccc1)C1CCN(Cc2csc(-c3ncccn3)n2)CC1.
What is the InChIKey of phenyl-[1-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanol?
The InChIKey is ACIMQDYISKEHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS/c25-18(15-5-2-1-3-6-15)16-7-11-24(12-8-16)13-17-14-26-20(23-17)19-21-9-4-10-22-19/h1-6,9-10,14,16,18,25H,7-8,11-13H2.
What are the key properties of phenyl-[1-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanol?
phenyl-[1-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanol has a molecular weight of 366.49 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[1-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 47053430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).